Molecule

ID:89053

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃ClN₂O₂
Molecular Mass
216.66472
Exact Mass
216.06655535
Charge
0
InChI
InChI=1S/C9H13ClN2O2/c10-6-8-5-9(14-11-8)7-12-1-3-13-4-2-12/h5H,1-4,6-7H2
InChIKey
FZRKHZMWHFBKDV-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(c1)CN1CCOCC1
Isomeric Smiles
o1nc(cc1CN1CCOCC1)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.46466556
LogD (pH = 7.4)
0.64651316
Log P
0.6494026
Molar Refractivity
54.3394
Polarizability
20.747074
Polar Surface Area
38.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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